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Skylaris Research Group

Localised quantum mechanical wavefunctions from ONETEP

Within the Skylaris research group we are interested in the computational study of properties and processes in materials, specifically those of nanostructures and biological molecules.  In order to do this effectively, we develop and use the linear-scaling ab-initio quantum code ONETEP.  To find out more about us, click the links to the side.

ONETEP

A linear-scaling code for quantum-mechanical calculations based on density-functional theory

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